Computationally Efficient Sub-optimal Mid Course Guidance Using Model Predictive Static Programming (MPSP)

For a homing interceptor, suitable initial condition must be achieved by mid course guidance scheme for its maximum effectiveness. To achieve desired end goal of any mid course guidance scheme, two point boundary value problem must be solved online with all realistic constrain. A Newly developed computationally efficient technique named as MPSP (Model Predictive Static Programming) is utilized in this paper for obtaining suboptimal solution of optimal mid course guidance. Time to go uncertainty is avoided in this formulation by making use of desired position where midcourse guidance terminate and terminal guidance takes over. A suitable approach angle towards desired point also can be specified in this guidance law formulation. This feature makes this law particularly attractive because warhead effectiveness issue can be indirectly solved in mid course phase.

Two new 1D chains of Ni(2)Na(2) heterometallic double half-cubane building units: Synthesis, structures and variable temperature magnetic study

An equimolar mixture of Ni(NO(3))(2)center dot 6H(2)O and pyridine-2-aldehyde with two equivalents of NaN(3) in methanol in the presence of NaOMe resulted in the formation of light green precipitate which upon crystallization from dimethylformamide (DMF) yielded light green single crystals [{Ni(2)Na(2)(pic)(4)(N(3))(2)(H(2)O)(2)(MeOH)}center dot MeOH center dot 3H(2)O](n) (1) and [{Ni(2)Na(2)(pic)(4)(N(3))(2)(H(2)O)(4)}center dot 2DMF center dot H(2)O](n) (2) (pic = pyridine-2-carboxylate) at room temperature and high temperature (100 degrees C), respectively. Variable temperature magnetic studies revealed the existence of overall ferromagnetic behaviour with J approximate to + 10 cm(-1) and D approximate to -2 to -7 cm(-1) for 1 and 2, respectively. Negative D values as well as variation of D upon slight distortion of structure by varying reaction temperature were observed. The X-band Electron Paramagnetic Resonance (EPR) spectra of both 2 and 3 were recorded below 50 K. The structural distortion was also implicated from the EPR spectra. Density Functional Theory (DFT) calculations on both complexes were performed in two different ways to corroborate the magnetic results. Considering only Ni(2)(II) dimeric unit, results were J = + 20.65 cm(-1) and D = -3.16 cm(-1) for 1, and J = +24.56 cm(-1) and D = -4.67 cm(-1) for 2. However, considering Ni(2)(II)Na(2)(I) cubane as magnetic core the results were J = +16.35 cm(-1) (1), +19.54 cm(-1) (2); D = -3.05 cm(-1) (1), -4.25 cm(-1) (2).

A new species of Raorchestes (Amphibia: Anura: Rhacophoridae) from mid-elevation evergreen forests of the southern Western Ghats, India

A new species of the shrub frog genus Raorchestes Biju, Souche, Dubois, Dutta and Bossuyt is described as Raorchestes kakachi sp. nov. from Agastyamalai hill region in the southern Western Ghats, India. The small sized Raorchestes (male: 24.7–25.8 mm, n = 3 and female: 24.3–34.1 mm, n = 3) is distinguished from all other known congeners by the following suite of characters. Snout oval in dorsal view; tympanum indistinct; head wider than long; moderate webbing in feet; colour on dorsum varying from ivory to brown, blotches of dark brown on flanks, brown mottling on throat reducing towards vent; inner and outer surface of thigh, inner surface of shank and inner surface of tarsus with a distinct dark brown horizontal band which extends upto first three toes on upper surface. A detailed description, advertisement call features, ecology, natural history notes and comparison with closely related species are provided for the new species.

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

We have developed a graphical user interface based dendrimer builder toolkit (DBT) which can be used to generate the dendrimer configuration of desired generation for various dendrimer architectures. The validation of structures generated by this tool was carried out by studying the structural properties of two well known classes of dendrimers: ethylenediamine cored poly(amidoamine) (PAMAM) dendrimer, diaminobutyl cored poly(propylene imine) (PPI) dendrimer. Using full atomistic molecular dynamics (MD) simulation we have calculated the radius of gyration, shape tensor and monomer density distribution for PAMAM and PPI dendrimer at neutral and high pH. A good agreement between the available simulation and experimental (small angle X-ray and neutron scattering; SAXS, SANS) results and calculated radius of gyration was observed. With this validation we have used DBT to build another new class of nitrogen cored poly(propyl ether imine) dendrimer and study it's structural features using all atomistic MD simulation. DBT is a versatile tool and can be easily used to generate other dendrimer structures with different chemistry and topology. The use of general amber force field to describe the intra-molecular interactions allows us to integrate this tool easily with the widely used molecular dynamics software AMBER. This makes our tool a very useful utility which can help to facilitate the study of dendrimer interaction with nucleic acids, protein and lipid bilayer for various biological applications. © 2012 Wiley Periodicals, Inc.

PIV study on the dimple mid-plane of a narrow rectangular channel with dimples applied to one wall

This paper presents an investigation of the fluid flow in the fully developed portion of a rectangular channel (Aspect Ratio of 2) with dimples applied to one wall at channel Reynolds numbers of 20,000, 30,000, and 40,000. The dimples are applied in a staggered-row, racetrack configuration. Results for three different dimple geometries are presented: a large dimple, small dimple, and double dimple. Heat transfer and aerodynamic results from preceding works are presented in Nusselt number and friction factor augmentation plots as determined experimentally. Using particle image velocimetry, the region near the dimple feature is studied in detail in the location of the entrainment and ejection of vortical packets into and out of the dimple; the downstream wake region behind each dimple is also studied to examine the effects of the local flow phenomenon that result in improved heat transfer in the areas of the channel wall not occupied by a feature. The focus of the paper is to examine the secondary flows in these dimpled channels in order to support the previously presented heat transfer trends. The flow visualization is also intended to improve the understanding of the flow disturbances in a dimpled channel; a better understanding of these effects would lead the development of more effective channel cooling designs. Copyright © 2011 by ASME.

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

We have developed a graphical user interface based dendrimer builder toolkit (DBT) which can be used to generate the dendrimer configuration of desired generation for various dendrimer architectures. The validation of structures generated by this tool was carried out by studying the structural properties of two well known classes of dendrimers: ethylenediamine cored poly(amidoamine) (PAMAM) dendrimer, diaminobutyl cored poly(propylene imine) (PPI) dendrimer. Using full atomistic molecular dynamics (MD) simulation we have calculated the radius of gyration, shape tensor and monomer density distribution for PAMAM and PPI dendrimer at neutral and high pH. A good agreement between the available simulation and experimental (small angle X-ray and neutron scattering; SAXS, SANS) results and calculated radius of gyration was observed. With this validation we have used DBT to build another new class of nitrogen cored poly(propyl ether imine) dendrimer and study it's structural features using all atomistic MD simulation. DBT is a versatile tool and can be easily used to generate other dendrimer structures with different chemistry and topology. The use of general amber force field to describe the intra-molecular interactions allows us to integrate this tool easily with the widely used molecular dynamics software AMBER. This makes our tool a very useful utility which can help to facilitate the study of dendrimer interaction with nucleic acids, protein and lipid bilayer for various biological applications. (c) 2012 Wiley Periodicals, Inc.

Cu-II-azide polynuclear complexes of Cu-4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies

Three new copper-azido complexes Cu-4(N-3)(8)(L-1)(2)](n) (1), Cu-4(N-3)(6)(L-2)(2)(H2O)(2)] (2), and Cu-4(N-3)(6)(L-3)(2)](n) (3) L-1 is the imine resulting from the condensation of pyridine-2-carboxaldehyde with N-methylethylenediamine, HL2 and HL3 are the condensation products of 2-hydroxy-3-methoxybenzaldehyde with N,N-diethylethylenediamine and N-ethylethylenediamine respectively] have been synthesized by using 0.5 molar equivalents of the Schiff base ligands with Cu(NO3)(2)center dot 3H(2)O and an excess of NaN3. Single crystal X-ray structures show that the basic unit of these complexes contains very similar Cu-4(II) building blocks. While 1 and 3 have overall 1D structures, 2 forms discrete tetranuclear clusters due to blocking of two coordination sites on the tetranuclear cluster by water molecules. Magnetic susceptibility measurements over a wide range of temperatures exhibit the presence of both antiferromagnetic and ferromagnetic exchanges within the tetranuclear unit structures. Density functional theory calculations (using B3LYP functional and two different basis sets) have been performed on the complexes 1-3 to provide a qualitative theoretical interpretation of their overall magnetic behavior.

Verification of Masonry Building Code to Flexural Behavior of Cement-Stabilized Soil Block

Most studies involving cement-stabilized soil blocks (CSSB) concern material properties, such as the characteristics of erosion and strength and how the composition of the block affects these properties. Moreover, research has been conducted on the performance of various mortars, investigating their material properties and the tensile bond strength between CSSB units and mortar. In contrast, very little is currently known about CSSB masonry structural behavior. Because structural design codes of traditional masonry buildings were well developed over the past century, many of the same principles may be applicable to CSSB masonry buildings. This paper details the topic of flexural behavior of CSSB masonry walls and whether the Masonry Standards Joint Committee (MSJC) code can be applied to this material for improved safety of such buildings. DOI: 10.1061/(ASCE)MT.1943-5533.0000566. (C) 2013 American Society of Civil Engineers.

An insight into real-time performance assessment of a building integrated photovoltaic (BIPV) installation in Bangalore (India)

Building integrated photovoltaic (BIPV) applications are gaining widespread popularity. The performance of any given BIPV system is dependent on prevalent meteorological factors, site conditions and system characteristics. Investigations pertaining to the performance assessment of photovoltaic (PV) systems are generally confined to either controlled environment-chambers or computer-based simulation studies. Such investigations fall short of providing a realistic insight into how a PV system actually performs real-time. Solar radiation and the PV cell temperature are amongst the most crucial parameters affecting PV output. The current paper deals with the real-time performance assessment of a recently commissioned 5.25 kW, BIPV system installed at the Center for Sustainable Technologies, Indian Institute of Science, Bangalore. The overall average system efficiency was found to be 6% for the period May 2011-April 2012. This paper provides a critical appraisal of PV system performance based on ground realities, particularly characteristic to tropical (moderate) regions such as Bangalore, India. (C) 2013 International Energy Initiative. Published by Elsevier Inc. All rights reserved.

Low embodied energy cement stabilised rammed earth building-A case study

Rammed earth is a monolithic construction and the construction process involves compaction of processed soil in progressive layers in a rigid formwork. Durable and thinner load bearing walls can be built using stabilised rammed earth. Use of inorganic additives such as cement for rammed earth walls has been in practice since the last 5-6 decades and cement stabilised rammed earth (CSRE) buildings can be seen across the world. The paper deals with the construction aspects, structural design and embodied energy analysis of a three storey load bearing school building complex. The CSRE school complex consists of 15 classrooms, an open air theatre and a service block. The complex has a built-up area of 1691.3 m(2) and was constructed employing manual construction techniques. This case study shows low embodied energy of 1.15 GJ/m(2) for the CSRE building as against 3-4 GJ/m(2) for conventional burnt clay brick load bearing masonry buildings. (C) 2013 Elsevier B.V. All rights reserved.

Self-assembly of discrete metallamacrocycles employing half-sandwich octahedral diruthenium(II) building units and imidazole-based ligands

Equimolar combination of a series of binuclear half-sandwich p-cymene ruthenium(II) building units Ru-2(mu-eta(4)-C2O4)(MeOH)(2)(eta(6)-p-cymene)(2)](OTf)(2) 1a](OTf)(2), Ru-2(mu-eta(4)-N,N'-diphenyloxamidato)( MeOH)(2)(eta(6)-p-cymene)(2)](OTf)(2) 1b](OTf)(2) and Ru-2(mu-eta(4)-C6H2O4)(MeOH)(2)(eta(6)-p-cymene)(2)](OTf)(2) 1c](OTf)(2) separately with imidazole-based ditopic ligands (L-1-L-2) in methanol yielded a series of tetranuclear metallamacrocycles 2-7](OTf)(4), respectively L-1 = 1,4-bis(imidazole-1-yl)benzene; L-2 = 4,4'-bis(imidazole-1-yl)biphenyl; OTf- = O3SCF3-]. Similarly, the reaction of Ru-2(mu-eta(4)-C2O4)(MeOH)(2)(eta(6)-p-cymene)2](OTf)(2) 1a](OTf)(2) with a triazine-based tritopic ligand 1,3,5-tris(imidazole-1-yl) triazine (L3) in 3: 2 M ratio afforded an unexpected tetranuclear macrocycle 8](OTf)(4) instead of an expected trigonal prismatic cage 8a](OTf)(6). All the self-assembled macrocycles 2-8](OTf)(4) were isolated in moderate to high yields and were fully characterized by multinuclear H-1, F-19] NMR, IR and electrospray ionization mass spectrometry (ESI-MS). In addition, X-ray diffraction study on the single crystals of 3](OTf)(4) and 8](OTf)(4) also indicated the formation 2 + 2] self-assembled macrocycles. Despite the possibility of formation of different conformational isomeric macrocycles (syn-and anti) and polymeric product due to free rotation of ligand sites of imidazole linkers, the selective formation of single conformational isomer (anti) as the only product is quite interesting. Furthermore, the photo-and electrochemical properties of these assemblies have been studied using UV/Vis absorption and cyclic voltammetry analysis. (c) 2013 Elsevier B.V. All rights reserved.

Function of the Dufour's gland in solitary and social Hymenoptera

The poison gland and Dufour's gland are the two glands associated with the sting apparatus in female Apocrita (Hymenoptera). While the poison gland usually functions as an integral part of the venom delivery system, the Dufour's gland has been found to differ in its function in various hymenopteran groups. Like all exocrine glands, the function of the Dufour's gland is to secrete chemicals, but the nature and function of the secretions varies in different taxa. Functions of the Dufour's gland secretions range from serving as a component of material used in nest building, larval food, and pheromones involved in communicative functions that are important for both solitary and social species. This review summarizes the different functions reported for the Dufour's gland in hymenopterans, illustrating how the Dufour's gland secretions can be adapted to give rise to various functions in response to different challenges posed by the ways of life followed by different taxa. Aspects of development, structure, chemistry and the evolution of different functions are also touched upon briefly.

Robust dielectric properties of B-site size-disordered hexagonal Ln(2)CuTiO(6) (Ln = Y, Dy, Ho, Er, and Yb)

Hexagonal Ln(2)CuTiO(6) (Ln = Y, Dy, Ho, Er, and Yb) exhibits a rare combination of interesting dielectric properties, in the form of relatively large dielectric constants (epsilon' > 30), low losses, and extremely small temperature and frequency dependencies, over large ranges of temperature and frequency Choudhury et al., Appl. Phys. Lett. 96, 162903 (2010) and Choudhury et al., Phys. Rev. B 82, 134203 (2010)], making these compounds promising as high-k dielectric materials. The authors present a brief review of the existing literature on this interesting class of oxides, complimenting it with spectroscopic data in conjunction with first-principles calculation results, revealing a novel mechanism underlying these robust dielectric properties. These show that the large size differences in Cu2+ and Ti4+ at the B-site, aided by an inherent random distribution of CuO5 and TiO5 polyhedral units, frustrates the ferroelectric instability, inherent to the noncentrosymmetric P6(3) cm space group of this system, and gives rise to the observed relatively large dielectric constant values. Additionally, the phononic contributions to the dielectric constant are dominated primarily by mid-frequency (>100 cm(-1)) polar modes, involving mainly Ti4+ 3d(0) ions. In contrast, the soft polar phonon modes with frequencies typically less than 100 cm(-1), usually responsible for dielectric properties of materials, are found to be associated with non-d(0) Cu2+ ions and to contribute very little, giving rise to the remarkable temperature stability of dielectric properties of these compounds. (C) 2014 American Vacuum Society.

DEFINING alpha-HELIX GEOMETRY BY C-alpha ATOM TRACE vs (phi-psi) TORSION ANGLES: A COMPARATIVE ANALYSIS

A regular secondary structure is described by a well defined set of values for the backbone dihedral angles (phi,psi and omega) in a polypeptide chain. However in real protein structures small local variations give rise to distortions from the ideal structures, which can lead to considerable variation in higher order organization. Protein structure analysis and accurate assignment of various structural elements, especially their terminii, are important first step in protein structure prediction and design. Various algorithms are available for assigning secondary structure elements in proteins but some lacunae still exist. In this study, results of a recently developed in-house program ASSP have been compared with those from STRIDE, in identification of alpha-helical regions in both globular and membrane proteins. It is found that, while a combination of hydrogen bond patterns and backbone torsional angles (phi-psi) are generally used to define secondary structure elements, the geometry of the C-alpha atom trace by itself is sufficient to define the parameters of helical structures in proteins. It is also possible to differentiate the various helical structures by their C-alpha trace and identify the deviations occurring both at mid-positions as well as at the terminii of alpha-helices, which often lead to occurrence of 3(10) and pi-helical fragments in both globular and membrane proteins.